ChemSpider 2D Image | 2-[(2-Fluoro-5-methylbenzyl)amino]-2-methyl-1,3-propanediol | C12H18FNO2

2-[(2-Fluoro-5-methylbenzyl)amino]-2-methyl-1,3-propanediol

  • Molecular FormulaC12H18FNO2
  • Average mass227.275 Da
  • Monoisotopic mass227.132156 Da
  • ChemSpider ID35171878

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1,3-Propanediol, 2-[[(2-fluoro-5-methylphenyl)methyl]amino]-2-methyl- [ACD/Index Name]
2-[(2-Fluor-5-methylbenzyl)amino]-2-methyl-1,3-propandiol [German] [ACD/IUPAC Name]
2-[(2-Fluoro-5-methylbenzyl)amino]-2-methyl-1,3-propanediol [ACD/IUPAC Name]
2-[(2-Fluoro-5-méthylbenzyl)amino]-2-méthyl-1,3-propanediol [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 383.7±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 66.7±3.0 kJ/mol
Flash Point: 185.8±26.5 °C
Index of Refraction: 1.536
Molar Refractivity: 61.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.02
ACD/LogD (pH 5.5): -0.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.33
ACD/LogD (pH 7.4): 1.29
ACD/BCF (pH 7.4): 5.03
ACD/KOC (pH 7.4): 96.94
Polar Surface Area: 52 Å2
Polarizability: 24.2±0.5 10-24cm3
Surface Tension: 43.8±3.0 dyne/cm
Molar Volume: 196.1±3.0 cm3

Click to predict properties on the Chemicalize site


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